SCHEMBL6824699

SCHEMBL6824699

CCCCCCOC(=O)NC(=N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 4/20 0.54
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
EPHX1 P07099 1/20 0.49
CNR2 P34972 1/20 0.48
NAAA Q02083 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CTSK P43235 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12368087 0.87 L3MBTL1 (0.48) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL28194649 0.87 NAAA (0.58) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL7057167 0.86 NPC1 (0.63) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL7061424 0.86 NPC1 (0.63) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL7985754 0.86 EPHX1 (0.46) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL15481191 0.85 EPHX1 (0.49) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL7992455 0.84 NPC1 (0.44) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL15764679 0.84 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL16166177 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNATSHR
SCHEMBL7062718 0.82 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1MAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 WO disclosed